Home Carbonyls 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-(2-fluorophenyl)-

1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-(2-fluorophenyl)-

CAS No.:
444892-80-2
Catalog Number:
AG0071R3
Molecular Formula:
C17H23FN2O4
Molecular Weight:
338.3739
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Product Description
Catalog Number:
AG0071R3
Chemical Name:
1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-(2-fluorophenyl)-
CAS Number:
444892-80-2
Molecular Formula:
C17H23FN2O4
Molecular Weight:
338.3739
MDL Number:
MFCD06659333
IUPAC Name:
2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
InChI:
InChI=1S/C17H23FN2O4/c1-17(2,3)24-16(23)20-10-8-19(9-11-20)14(15(21)22)12-6-4-5-7-13(12)18/h4-7,14H,8-11H2,1-3H3,(H,21,22)
InChI Key:
ZSGKIKRNLJANGA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(c1ccccc1F)C(=O)O)OC(C)(C)C
Properties
Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.164g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.379g/mol
Monoisotopic Mass:
338.164g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties